5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid

C11H10N2O3S2 — CID 43474325

IUPAC5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1nc(C)c(C(=O)Nc2ccc(C(=O)O)s2)s1
InChIInChI=1S/C11H10N2O3S2/c1-5-9(17-6(2)12-5)10(14)13-8-4-3-7(18-8)11(15)16/h3-4H,1-2H3,(H,13,14)(H,15,16)
InChIKeyQQSAADCGRKEPDK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.77
Rot. Bonds3

About 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid

5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 43474325) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID43474325
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Name5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1nc(C)c(C(=O)Nc2ccc(C(=O)O)s2)s1
InChIInChI=1S/C11H10N2O3S2/c1-5-9(17-6(2)12-5)10(14)13-8-4-3-7(18-8)11(15)16/h3-4H,1-2H3,(H,13,14)(H,15,16)
InChIKeyQQSAADCGRKEPDK-UHFFFAOYSA-N
XLogP2.77
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122111081
6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 61317360
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-5-iodobenzoic acid
CID 45345743
2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 63724956
5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 43092330
2-bromo-5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 115295780
2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 112758653
N-(4-chloro-2-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103766762
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
methyl 5-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]thiophene-2-carboxylate
CID 24509331
5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 113323241
2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16644283

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid (CID 43474325) is 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid is Cc1nc(C)c(C(=O)Nc2ccc(C(=O)O)s2)s1.
What is the InChIKey of 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is QQSAADCGRKEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-5-9(17-6(2)12-5)10(14)13-8-4-3-7(18-8)11(15)16/h3-4H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid?
5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 282.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).